#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h ILE 5 N 0.00 0.96 0.43 3.15 -2.65 -1.99 -3.30 117.51 114.11 3f9k h ILE 5 Ca 0.00 -2.13 -0.02 0.00 1.03 0.00 0.00 64.86 63.74 3f9k h ILE 5 Cb 0.00 2.31 0.00 0.00 -2.05 0.00 0.00 36.82 37.09 3f9k h ILE 5 CO 0.00 0.50 -0.21 -0.33 0.03 0.00 0.00 178.15 178.15 3f9k h GLU 6 N 0.00 -0.56 -0.76 0.16 4.39 -2.03 0.13 114.58 115.91 3f9k h GLU 6 Ca -0.01 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.88 3f9k h GLU 6 Cb 1.27 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 30.00 3f9k h GLU 6 CO 0.07 -0.31 0.51 -1.35 -1.16 0.00 0.00 179.01 176.77 3f9k h PRO 7 N -0.70 0.43 0.01 2.33 0.11 -2.00 -1.03 132.00 131.16 3f9k h PRO 7 Ca -0.06 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.76 3f9k h PRO 7 Cb 0.50 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.54 3f9k h PRO 7 CO 0.10 0.28 -1.06 0.00 -0.21 0.00 0.00 178.00 177.11 3f9k h ALA 8 N 1.64 0.12 -0.81 -0.75 0.00 -1.57 -1.77 119.26 116.12 3f9k h ALA 8 Ca 0.37 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3f9k h ALA 8 Cb 0.82 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3f9k h ALA 8 CO -0.12 0.68 0.42 0.37 0.00 0.00 0.00 179.25 180.60 3f9k h GLN 9 N 0.39 1.15 -0.26 0.00 4.15 -0.21 -1.68 115.11 118.64 3f9k h GLN 9 Ca -0.13 -0.15 -0.16 0.00 0.77 0.00 0.00 58.65 58.97 3f9k h GLN 9 Cb 1.71 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 3f9k h GLN 9 CO 0.21 0.87 -0.50 1.49 -1.93 0.00 0.00 178.83 178.97 3f9k h GLU 10 N 1.14 0.72 -0.73 1.69 4.81 -1.22 0.46 114.58 121.45 3f9k h GLU 10 Ca 0.28 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3f9k h GLU 10 Cb 0.08 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3f9k h GLU 10 CO -0.04 1.05 0.44 1.49 -0.73 0.00 0.00 179.01 181.22 3f9k h GLU 11 N 0.57 0.98 -0.19 1.92 4.57 -1.05 -2.91 114.58 118.48 3f9k h GLU 11 Ca 0.02 -0.09 -0.20 0.00 -1.18 0.00 0.00 59.36 57.91 3f9k h GLU 11 Cb 1.06 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3f9k h GLU 11 CO 0.10 0.70 -0.69 1.25 -1.18 0.00 0.00 179.01 179.19 3f9k h HIS 12 N 0.99 1.00 -0.32 0.92 2.76 -1.03 -1.42 115.15 118.06 3f9k h HIS 12 Ca 0.26 -0.41 0.09 0.00 -2.20 0.00 0.00 60.37 58.11 3f9k h HIS 12 Cb -0.04 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 3f9k h HIS 12 CO -0.01 1.23 0.36 1.49 -1.30 0.00 0.00 177.93 179.69 3f9k h GLU 13 N 0.54 0.00 0.00 5.26 4.81 -0.78 0.29 114.58 124.70 3f9k h GLU 13 Ca -0.03 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.01 3f9k h GLU 13 Cb 1.30 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 3f9k h GLU 13 CO 0.14 0.00 -1.43 1.17 -0.73 0.00 0.00 179.01 178.16 3f9k n LYS 14 N -3.72 0.54 -0.00 1.92 4.81 -1.06 -4.72 118.16 115.93 3f9k n LYS 14 Ca 0.05 0.37 0.06 0.00 -0.87 0.00 0.00 58.31 57.93 3f9k n LYS 14 Cb 0.51 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 33.89 3f9k n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3f9k n TYR 15 N -4.42 0.00 -2.86 5.64 4.01 -0.56 -4.99 117.16 113.98 3f9k n TYR 15 Ca -0.29 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.29 3f9k n TYR 15 Cb 0.62 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 3f9k n TYR 15 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3f9k n HIS 16 N -1.75 -1.48 -1.53 -0.72 8.25 0.10 -4.92 115.22 113.17 3f9k n HIS 16 Ca -0.01 0.42 -0.56 0.00 -0.26 0.00 0.00 57.72 57.31 3f9k n HIS 16 Cb 0.30 -3.53 -0.07 0.00 1.12 0.00 0.00 29.99 27.80 3f9k n HIS 16 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3f9k n SER 17 N -1.31 0.50 -3.84 0.41 7.64 -1.26 -4.94 113.62 110.82 3f9k n SER 17 Ca -0.07 1.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 3f9k n SER 17 Cb 0.58 -1.01 0.25 0.00 -1.01 0.00 0.00 64.21 63.02 3f9k n SER 17 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3f9k s ASN 18 N 0.13 0.66 0.08 6.43 2.20 -1.02 -4.66 114.94 118.76 3f9k s ASN 18 Ca 0.88 0.75 -0.30 0.00 -0.94 0.00 0.00 52.86 53.26 3f9k s ASN 18 Cb -1.16 -1.07 -0.16 0.00 -2.00 0.00 0.00 41.25 36.86 3f9k s ASN 18 CO 0.54 -4.30 1.65 0.58 -2.94 0.00 0.00 177.10 172.64 3f9k h VAL 19 N -2.70 0.50 -0.70 3.54 2.07 -1.91 -1.58 116.25 115.47 3f9k h VAL 19 Ca -0.46 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3f9k h VAL 19 Cb 1.31 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3f9k h VAL 19 CO 0.36 0.00 0.46 0.11 0.02 0.00 0.00 177.57 178.52 3f9k h LYS 20 N -0.62 0.86 0.19 1.57 1.57 -1.93 -0.22 116.57 117.99 3f9k h LYS 20 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3f9k h LYS 20 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3f9k h LYS 20 CO 0.05 0.57 -0.09 1.49 -0.57 0.00 0.00 179.45 180.90 3f9k h GLU 21 N 0.89 -0.24 -0.30 3.15 4.57 -1.74 -0.90 114.58 120.00 3f9k h GLU 21 Ca 0.27 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 3f9k h GLU 21 Cb -0.00 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 3f9k h GLU 21 CO -0.07 0.08 -0.12 -0.07 -1.18 0.00 0.00 179.01 177.65 3f9k h LEU 22 N -0.58 -0.40 -0.35 1.64 3.38 -0.94 0.27 115.31 118.32 3f9k h LEU 22 Ca -0.03 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3f9k h LEU 22 Cb 0.43 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3f9k h LEU 22 CO 0.04 -0.15 0.09 -1.28 0.09 0.00 0.00 178.44 177.24 3f9k h SER 23 N -0.06 0.06 0.14 -0.43 0.87 -1.05 -1.54 113.55 111.55 3f9k h SER 23 Ca 0.15 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3f9k h SER 23 Cb 0.29 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3f9k h SER 23 CO -0.34 0.07 -0.07 -0.74 -0.53 0.00 0.00 176.83 175.22 3f9k h HIS 24 N 0.22 -0.18 -0.92 2.24 -0.00 -0.71 -1.42 115.15 114.38 3f9k h HIS 24 Ca 0.17 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3f9k h HIS 24 Cb 0.17 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.59 3f9k h HIS 24 CO -0.17 0.18 0.58 -0.22 -0.00 0.00 0.00 177.93 178.30 3f9k h LYS 25 N -0.57 1.24 -0.22 5.26 1.63 -0.37 -3.17 116.57 120.37 3f9k h LYS 25 Ca -0.02 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3f9k h LYS 25 Cb 0.44 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3f9k h LYS 25 CO 0.03 0.85 0.00 1.19 -3.45 0.00 0.00 179.45 178.07 3f9k n PHE 26 N -4.40 0.27 -1.49 1.91 3.72 -0.59 -4.97 117.46 111.91 3f9k n PHE 26 Ca 0.10 -0.24 -0.17 0.00 -0.05 0.00 0.00 57.45 57.09 3f9k n PHE 26 Cb 0.04 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 3f9k n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f9k n GLY 27 N 0.77 1.63 3.78 1.37 0.00 -0.55 -4.95 105.19 107.24 3f9k n GLY 27 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3f9k n GLY 27 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f9k s ILE 28 N -2.44 4.21 0.70 -0.61 2.07 -1.16 -5.03 121.20 118.93 3f9k s ILE 28 Ca 0.00 1.83 -0.16 0.00 -1.41 0.00 0.00 60.65 60.91 3f9k s ILE 28 Cb 0.00 -4.02 -0.00 0.00 0.13 0.00 0.00 42.46 38.57 3f9k s ILE 28 CO 0.00 0.15 0.97 -2.65 -1.91 0.00 0.00 174.94 171.50 3f9k n PRO 29 N 0.58 0.59 -0.20 3.50 -0.02 -1.26 -4.51 135.00 133.67 3f9k n PRO 29 Ca 0.02 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 3f9k n PRO 29 Cb 0.50 -2.22 0.35 0.00 -0.02 0.00 0.00 33.50 32.12 3f9k n PRO 29 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3f9k h ASN 30 N -0.10 0.67 -0.25 2.55 -1.24 -1.95 -2.42 115.58 112.84 3f9k h ASN 30 Ca -0.48 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.51 3f9k h ASN 30 Cb 1.34 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 3f9k h ASN 30 CO 0.48 0.42 0.03 0.25 -1.29 0.00 0.00 177.43 177.31 3f9k h LEU 31 N 0.76 0.40 -1.20 0.34 5.85 -1.99 -1.57 115.31 117.91 3f9k h LEU 31 Ca 0.34 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3f9k h LEU 31 Cb 0.34 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3f9k h LEU 31 CO -0.12 0.58 0.56 0.58 -0.34 0.00 0.00 178.44 179.69 3f9k h VAL 32 N 0.22 1.13 -0.08 1.05 2.07 -1.80 0.11 116.25 118.95 3f9k h VAL 32 Ca 0.07 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3f9k h VAL 32 Cb 0.35 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3f9k h VAL 32 CO 0.01 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.82 3f9k h ALA 33 N 1.51 0.10 -0.60 1.67 0.00 -1.31 -2.19 119.26 118.45 3f9k h ALA 33 Ca 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3f9k h ALA 33 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3f9k h ALA 33 CO -0.10 -0.32 0.40 -0.09 0.00 0.00 0.00 179.25 179.14 3f9k h ARG 34 N -0.02 0.77 -0.62 0.00 2.43 -0.29 -2.28 114.38 114.37 3f9k h ARG 34 Ca 0.03 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3f9k h ARG 34 Cb 0.16 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3f9k h ARG 34 CO -0.00 0.51 0.01 1.96 -1.51 0.00 0.00 179.97 180.94 3f9k h GLN 35 N 0.79 1.09 -0.29 0.20 4.20 -0.61 -1.17 115.11 119.33 3f9k h GLN 35 Ca 0.23 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.60 3f9k h GLN 35 Cb -0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3f9k h GLN 35 CO -0.05 1.05 0.17 0.82 -0.67 0.00 0.00 178.83 180.15 3f9k h ILE 36 N 1.00 1.03 -0.40 2.54 2.04 -0.84 -2.15 117.51 120.74 3f9k h ILE 36 Ca 0.18 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 3f9k h ILE 36 Cb 0.56 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3f9k h ILE 36 CO 0.03 0.06 -0.12 0.58 0.00 0.00 0.00 178.15 178.70 3f9k h VAL 37 N 0.35 1.25 -0.23 1.67 2.07 -1.35 -2.46 116.25 117.56 3f9k h VAL 37 Ca 0.11 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3f9k h VAL 37 Cb -0.00 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3f9k h VAL 37 CO -0.05 0.39 0.10 0.78 0.02 0.00 0.00 177.57 178.81 3f9k h ASN 38 N 0.64 0.27 0.38 0.57 2.35 -0.94 -1.82 115.58 117.04 3f9k h ASN 38 Ca 0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3f9k h ASN 38 Cb 0.57 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3f9k h ASN 38 CO 0.04 0.24 -0.11 -1.20 -1.65 0.00 0.00 177.43 174.75 3f9k n SER 39 N -4.46 0.45 -4.61 5.81 7.64 -0.83 -4.81 113.62 112.81 3f9k n SER 39 Ca 0.00 -0.54 -0.41 0.00 1.01 0.00 0.00 58.87 58.93 3f9k n SER 39 Cb 0.11 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.17 3f9k n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f9k h ALA 41 N 8.13 -0.19 -0.41 0.00 0.00 -1.87 -3.19 119.26 121.73 3f9k h ALA 41 Ca -0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3f9k h ALA 41 Cb 1.11 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3f9k h ALA 41 CO 0.83 -0.64 0.08 1.96 0.00 0.00 0.00 179.25 181.49 3f9k h GLN 42 N -0.24 0.60 0.00 0.00 7.50 -1.93 -2.72 115.11 118.33 3f9k h GLN 42 Ca 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 59.07 3f9k h GLN 42 Cb 0.27 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.70 3f9k h GLN 42 CO -0.08 0.57 0.00 0.00 -1.50 0.00 0.00 178.83 177.81 3f9k s GLN 44 N -3.17 4.10 -1.48 0.00 1.11 -1.03 -3.32 119.66 115.88 3f9k s GLN 44 Ca 0.08 2.24 -0.12 0.00 0.01 0.00 0.00 55.36 57.57 3f9k s GLN 44 Cb 0.11 -2.88 0.06 0.00 -1.01 0.00 0.00 33.01 29.29 3f9k s GLN 44 CO 0.46 -0.41 0.99 1.04 0.01 0.00 0.00 175.29 177.38 3f9k n GLN 45 N 0.37 -6.07 -4.24 2.91 6.02 -1.26 -5.01 117.38 110.11 3f9k n GLN 45 Ca 0.02 0.68 -0.17 0.00 -0.01 0.00 0.00 57.00 57.52 3f9k n GLN 45 Cb 0.42 -5.61 -0.14 0.00 1.02 0.00 0.00 30.24 25.93 3f9k n GLN 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3f9k s LYS 46 N -6.44 0.55 0.48 -1.09 1.02 -1.21 -5.16 119.74 107.88 3f9k s LYS 46 Ca 0.61 -0.26 -0.04 0.00 0.02 0.00 0.00 55.97 56.30 3f9k s LYS 46 Cb -0.29 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.47 3f9k s LYS 46 CO 0.75 0.14 0.76 0.20 -0.92 0.00 0.00 175.35 176.28 3f9k s GLY 47 N -0.20 1.50 0.55 -3.33 0.00 -1.26 -5.08 107.32 99.50 3f9k s GLY 47 Ca 0.02 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.94 3f9k s GLY 47 CO -0.00 -0.46 1.03 -0.54 0.00 0.00 0.00 173.10 173.12 3f9k s GLU 48 N -4.71 3.61 0.94 2.90 0.41 -1.26 -5.07 118.70 115.54 3f9k s GLU 48 Ca 0.47 1.13 -0.14 0.00 -0.41 0.00 0.00 54.97 56.02 3f9k s GLU 48 Cb -0.10 -2.08 0.21 0.00 -1.78 0.00 0.00 34.13 30.37 3f9k s GLU 48 CO 0.43 -0.56 1.29 0.00 -0.49 0.00 0.00 175.26 175.93 3f9k s ALA 49 N -2.47 2.44 0.19 5.21 0.00 -1.26 -5.08 121.76 120.80 3f9k s ALA 49 Ca 0.62 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 3f9k s ALA 49 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 3f9k s ALA 49 CO 0.33 -2.38 0.38 0.96 0.00 0.00 0.00 175.76 175.04 3f9k s ILE 50 N -3.81 5.22 0.00 0.00 -4.36 -1.26 -5.07 121.20 111.92 3f9k s ILE 50 Ca 0.74 -0.41 0.00 0.00 -0.26 0.00 0.00 60.65 60.73 3f9k s ILE 50 Cb -0.03 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.95 3f9k s ILE 50 CO 0.52 -0.16 0.00 1.41 0.24 0.00 0.00 174.94 176.95 3f9k n HIS 51 N -0.64 0.00 -3.91 1.37 8.25 -1.26 -4.79 115.22 114.24 3f9k n HIS 51 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.13 3f9k n HIS 51 Cb 0.54 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.48 3f9k n HIS 51 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3f9k s GLY 52 N -1.67 0.90 -1.28 -1.41 0.00 -1.26 -2.13 107.32 100.47 3f9k s GLY 52 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 3f9k s GLY 52 CO 0.00 0.84 1.75 -1.06 0.00 0.00 0.00 173.10 174.62 3f9k n GLN 53 N 4.90 3.37 -0.71 2.90 6.02 -1.24 -4.89 117.38 127.73 3f9k n GLN 53 Ca -0.13 -3.49 -0.12 0.00 -0.01 0.00 0.00 57.00 53.25 3f9k n GLN 53 Cb 0.49 -3.09 -0.09 0.00 1.02 0.00 0.00 30.24 28.57 3f9k n GLN 53 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3f9k n VAL 54 N 4.44 2.19 -0.16 5.09 0.24 -1.25 -1.76 118.33 127.11 3f9k n VAL 54 Ca 0.42 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 3f9k n VAL 54 Cb 0.40 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.84 3f9k n VAL 54 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3f9k n ASN 55 N 3.02 0.00 -4.84 -1.34 3.02 -1.26 -5.09 115.26 108.77 3f9k n ASN 55 Ca 0.34 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.58 3f9k n ASN 55 Cb 0.49 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.68 3f9k n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f9k s ALA 56 N 0.00 2.88 0.52 5.41 0.00 -0.72 -5.05 121.76 124.80 3f9k s ALA 56 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 3f9k s ALA 56 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 3f9k s ALA 56 CO 0.00 -0.84 1.02 -1.21 0.00 0.00 0.00 175.76 174.73 3f9k s GLU 57 N -4.78 3.74 0.58 0.00 0.41 -1.26 -4.78 118.70 112.62 3f9k s GLU 57 Ca 0.58 1.17 0.28 0.00 -0.41 0.00 0.00 54.97 56.59 3f9k s GLU 57 Cb -0.13 -2.10 1.61 0.00 -1.78 0.00 0.00 34.13 31.73 3f9k s GLU 57 CO 0.48 -0.46 2.08 1.25 -0.49 0.00 0.00 175.26 178.12 3f9k h LEU 58 N 1.08 0.00 -2.73 1.80 5.85 -1.97 -2.15 115.31 117.18 3f9k h LEU 58 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3f9k h LEU 58 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3f9k h LEU 58 CO 0.59 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 3f9k n GLY 59 N -1.44 2.38 3.60 3.75 0.00 -1.26 -4.91 105.19 107.31 3f9k n GLY 59 Ca 0.03 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3f9k n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f9k s THR 60 N -1.45 5.00 0.08 2.61 2.01 -0.81 -0.06 115.64 123.02 3f9k s THR 60 Ca 0.47 0.83 0.08 0.00 0.31 0.00 0.00 61.69 63.38 3f9k s THR 60 Cb 0.27 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3f9k s THR 60 CO 0.27 -0.05 -0.20 0.26 -0.69 0.00 0.00 174.62 174.21 3f9k s TRP 61 N 2.47 1.76 0.05 4.92 0.52 -0.06 -2.23 118.94 126.37 3f9k s TRP 61 Ca 0.23 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 56.03 3f9k s TRP 61 Cb -0.15 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.15 3f9k s TRP 61 CO 0.11 0.16 -0.25 -0.65 0.02 0.00 0.00 176.95 176.34 3f9k s GLN 62 N -1.67 1.62 0.01 4.98 -0.21 -0.48 -1.60 119.66 122.32 3f9k s GLN 62 Ca 0.06 -1.08 0.03 0.00 0.02 0.00 0.00 55.36 54.39 3f9k s GLN 62 Cb -0.10 -1.81 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 3f9k s GLN 62 CO 0.03 0.46 -0.10 1.41 -2.12 0.00 0.00 175.29 174.98 3f9k s MET 63 N -1.31 0.72 0.31 2.91 1.75 -1.09 -0.32 119.30 122.26 3f9k s MET 63 Ca 0.11 -0.48 -0.15 0.00 -1.25 0.00 0.00 55.69 53.91 3f9k s MET 63 Cb -0.10 -0.68 0.02 0.00 2.84 0.00 0.00 34.83 36.92 3f9k s MET 63 CO 0.02 0.17 0.65 0.34 -0.65 0.00 0.00 175.02 175.56 3f9k s ASP 64 N -0.62 -0.01 -0.03 1.11 2.15 0.12 -4.44 116.67 114.94 3f9k s ASP 64 Ca 0.01 -0.93 0.07 0.00 0.43 0.00 0.00 52.55 52.13 3f9k s ASP 64 Cb -0.05 0.72 -0.02 0.00 -0.30 0.00 0.00 42.92 43.27 3f9k s ASP 64 CO 0.00 -1.39 -0.26 0.00 -0.17 0.00 0.00 175.17 173.36 3f9k s THR 66 N -0.46 1.26 0.06 0.00 -1.32 0.08 -5.00 115.64 110.25 3f9k s THR 66 Ca 0.06 -2.03 0.09 0.00 -1.21 0.00 0.00 61.69 58.59 3f9k s THR 66 Cb -0.11 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 3f9k s THR 66 CO 0.01 -0.69 -0.26 -1.00 -2.21 0.00 0.00 174.62 170.47 3f9k s HIS 67 N -3.13 2.29 -0.20 9.09 3.76 -1.26 -0.39 115.29 125.45 3f9k s HIS 67 Ca 0.16 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 54.59 3f9k s HIS 67 Cb 0.01 -1.35 0.09 0.00 1.11 0.00 0.00 32.58 32.43 3f9k s HIS 67 CO 0.02 0.15 0.44 -1.17 -0.85 0.00 0.00 174.74 173.33 3f9k s LEU 68 N -1.34 -0.56 -1.49 0.89 0.20 -0.44 -4.93 118.68 111.01 3f9k s LEU 68 Ca 0.12 1.02 -0.06 0.00 0.69 0.00 0.00 54.13 55.90 3f9k s LEU 68 Cb -0.10 1.44 0.05 0.00 -0.43 0.00 0.00 46.19 47.15 3f9k s LEU 68 CO 0.03 -0.22 0.58 -0.62 -0.29 0.00 0.00 176.35 175.82 3f9k n GLU 69 N 5.10 -3.55 -1.05 1.98 1.02 -1.26 -0.57 120.64 122.31 3f9k n GLU 69 Ca -0.12 0.42 -0.02 0.00 -0.02 0.00 0.00 57.16 57.42 3f9k n GLU 69 Cb 0.51 -4.80 -0.01 0.00 -0.02 0.00 0.00 31.44 27.13 3f9k n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f9k n GLY 70 N -1.79 0.37 3.72 0.62 0.00 -1.26 -5.00 105.19 101.85 3f9k n GLY 70 Ca -0.18 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3f9k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f9k s LYS 71 N -1.41 2.80 -0.29 1.61 3.01 0.27 -5.10 119.74 120.63 3f9k s LYS 71 Ca 0.00 -0.66 -0.14 0.00 -1.01 0.00 0.00 55.97 54.16 3f9k s LYS 71 Cb 0.00 -2.69 -0.03 0.00 -1.01 0.00 0.00 37.83 34.10 3f9k s LYS 71 CO 0.00 0.59 0.32 0.42 0.51 0.00 0.00 175.35 177.20 3f9k s ILE 72 N -1.23 5.21 -0.22 2.17 1.01 -1.26 -1.33 121.20 125.55 3f9k s ILE 72 Ca 0.24 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 3f9k s ILE 72 Cb -0.12 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3f9k s ILE 72 CO 0.16 0.11 0.03 -0.63 0.00 0.00 0.00 174.94 174.60 3f9k s ILE 73 N 1.98 4.13 -0.04 2.92 1.01 0.48 -0.79 121.20 130.88 3f9k s ILE 73 Ca 0.12 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 3f9k s ILE 73 Cb -0.16 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 3f9k s ILE 73 CO 0.11 0.39 0.35 -0.51 0.00 0.00 0.00 174.94 175.28 3f9k s ILE 74 N 1.25 5.16 -0.02 2.92 2.07 0.46 -0.74 121.20 132.29 3f9k s ILE 74 Ca 0.04 0.69 0.02 0.00 -1.41 0.00 0.00 60.65 60.00 3f9k s ILE 74 Cb -0.15 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.80 3f9k s ILE 74 CO 0.02 0.56 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.84 3f9k s VAL 75 N -0.84 0.73 -0.04 4.00 1.01 0.44 -1.80 120.40 123.89 3f9k s VAL 75 Ca 0.21 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3f9k s VAL 75 Cb -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3f9k s VAL 75 CO 0.10 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 3f9k s ALA 76 N 0.20 1.18 -0.11 5.51 0.00 0.65 -0.70 121.76 128.49 3f9k s ALA 76 Ca -0.03 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3f9k s ALA 76 Cb -0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 3f9k s ALA 76 CO 0.00 0.17 -0.23 0.08 0.00 0.00 0.00 175.76 175.79 3f9k s VAL 77 N 0.30 2.15 -0.66 0.00 1.01 0.56 -0.91 120.40 122.85 3f9k s VAL 77 Ca -0.07 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 3f9k s VAL 77 Cb -0.12 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.46 3f9k s VAL 77 CO 0.02 0.56 1.26 -2.28 0.00 0.00 0.00 175.10 174.66 3f9k s HIS 78 N 0.40 2.40 0.21 5.22 2.46 0.25 -1.38 115.29 124.85 3f9k s HIS 78 Ca -0.17 0.18 -0.09 0.00 0.47 0.00 0.00 55.06 55.45 3f9k s HIS 78 Cb -0.18 -4.56 0.31 0.00 -0.13 0.00 0.00 32.58 28.02 3f9k s HIS 78 CO 0.07 -1.88 1.71 0.28 -2.47 0.00 0.00 174.74 172.45 3f9k h VAL 79 N 6.12 0.64 0.00 0.89 2.07 -1.76 0.14 116.25 124.35 3f9k h VAL 79 Ca -0.27 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3f9k h VAL 79 Cb 1.06 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3f9k h VAL 79 CO 1.24 0.05 -0.12 0.00 0.02 0.00 0.00 177.57 178.76 3f9k h ALA 80 N 1.48 1.42 0.00 1.67 0.00 -1.78 -3.30 119.26 118.75 3f9k h ALA 80 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3f9k h ALA 80 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3f9k h ALA 80 CO -0.40 0.15 -0.98 -1.13 0.00 0.00 0.00 179.25 176.89 3f9k n SER 81 N -3.84 4.90 -0.00 0.00 3.41 -0.80 -3.79 113.62 113.50 3f9k n SER 81 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3f9k n SER 81 Cb 0.22 0.96 -0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3f9k n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f9k n GLY 82 N 2.47 0.49 3.75 5.00 0.00 0.41 -4.47 105.19 112.83 3f9k n GLY 82 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3f9k n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f9k s PHE 83 N -1.98 3.18 0.14 1.61 5.36 -1.24 -4.85 117.98 120.20 3f9k s PHE 83 Ca 0.00 1.24 0.08 0.00 -0.96 0.00 0.00 56.93 57.29 3f9k s PHE 83 Cb 0.00 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 38.99 3f9k s PHE 83 CO 0.00 -1.98 -0.20 0.96 -1.46 0.00 0.00 175.22 172.54 3f9k s ILE 84 N -0.21 1.80 -0.03 3.12 -4.36 -1.26 -0.59 121.20 119.67 3f9k s ILE 84 Ca 0.55 -1.78 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 3f9k s ILE 84 Cb -0.38 -1.75 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 3f9k s ILE 84 CO 0.42 -0.21 -0.15 -1.61 0.24 0.00 0.00 174.94 173.64 3f9k s GLU 85 N -2.45 1.46 0.04 0.37 0.41 -0.09 -4.95 118.70 113.49 3f9k s GLU 85 Ca 0.12 -0.51 -0.13 0.00 -0.41 0.00 0.00 54.97 54.04 3f9k s GLU 85 Cb -0.07 -1.31 0.02 0.00 -1.78 0.00 0.00 34.13 30.98 3f9k s GLU 85 CO 0.06 0.22 0.28 0.00 -0.49 0.00 0.00 175.26 175.33 3f9k s ALA 86 N 0.02 -0.62 -0.12 5.21 0.00 -1.26 -0.26 121.76 124.73 3f9k s ALA 86 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 3f9k s ALA 86 Cb -0.10 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.39 3f9k s ALA 86 CO 0.01 -0.38 0.75 -2.00 0.00 0.00 0.00 175.76 174.13 3f9k s GLU 87 N -2.41 0.93 -0.06 0.00 2.12 -0.74 -4.71 118.70 113.82 3f9k s GLU 87 Ca -0.06 0.41 -0.25 0.00 0.36 0.00 0.00 54.97 55.43 3f9k s GLU 87 Cb -0.01 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 3f9k s GLU 87 CO -0.03 -0.25 0.79 0.08 -0.54 0.00 0.00 175.26 175.32 3f9k s VAL 88 N -0.79 4.98 0.01 3.70 1.01 -1.26 -0.41 120.40 127.64 3f9k s VAL 88 Ca -0.07 1.64 0.04 0.00 0.00 0.00 0.00 61.98 63.59 3f9k s VAL 88 Cb -0.01 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3f9k s VAL 88 CO 0.06 0.20 -0.10 0.27 0.00 0.00 0.00 175.10 175.53 3f9k s ILE 89 N 1.02 3.36 0.11 2.22 -4.36 0.03 -4.95 121.20 118.62 3f9k s ILE 89 Ca 0.42 -0.89 -0.25 0.00 -0.26 0.00 0.00 60.65 59.67 3f9k s ILE 89 Cb -0.18 -2.44 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 3f9k s ILE 89 CO 0.20 0.39 1.68 1.55 0.24 0.00 0.00 174.94 179.00 3f9k h PRO 90 N 4.58 -0.27 -5.38 0.37 0.13 -1.98 -3.37 132.00 126.09 3f9k h PRO 90 Ca -0.48 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 3f9k h PRO 90 Cb 1.16 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 3f9k h PRO 90 CO 0.52 -0.18 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.70 3f9k s GLN 91 N -6.13 1.03 0.00 0.86 1.11 -1.26 -4.90 119.66 110.36 3f9k s GLN 91 Ca -0.15 -1.26 -0.04 0.00 0.01 0.00 0.00 55.36 53.92 3f9k s GLN 91 Cb 0.08 -0.87 -0.17 0.00 -1.01 0.00 0.00 33.01 31.03 3f9k s GLN 91 CO 0.66 0.16 2.93 -1.91 0.01 0.00 0.00 175.29 177.14 3f9k n GLU 92 N 0.45 1.57 -2.72 2.91 2.13 -1.26 -4.76 120.64 118.96 3f9k n GLU 92 Ca -0.15 -0.62 -0.27 0.00 0.66 0.00 0.00 57.16 56.78 3f9k n GLU 92 Cb 0.57 -1.64 -0.00 0.00 0.27 0.00 0.00 31.44 30.64 3f9k n GLU 92 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3f9k s SER 93 N 2.03 6.27 0.23 4.31 1.04 -1.26 -4.56 113.70 121.77 3f9k s SER 93 Ca 0.42 0.88 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 3f9k s SER 93 Cb 0.20 -2.23 0.27 0.00 0.10 0.00 0.00 66.02 64.36 3f9k s SER 93 CO 0.00 -0.54 1.88 1.23 0.98 0.00 0.00 173.24 176.79 3f9k h GLY 94 N 0.31 1.26 0.86 7.32 0.00 -1.89 -2.46 103.07 108.47 3f9k h GLY 94 Ca -0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 3f9k h GLY 94 CO 0.62 0.35 -0.11 -0.09 0.00 0.00 0.00 176.54 177.31 3f9k h ARG 95 N 1.07 -0.29 -0.81 4.80 2.43 -1.94 -0.72 114.38 118.92 3f9k h ARG 95 Ca 0.35 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.70 3f9k h ARG 95 Cb 0.02 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.53 3f9k h ARG 95 CO -0.12 -0.09 0.35 1.96 -1.51 0.00 0.00 179.97 180.56 3f9k h GLN 96 N -0.45 0.45 0.12 0.20 1.08 -1.83 -0.01 115.11 114.67 3f9k h GLN 96 Ca -0.03 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3f9k h GLN 96 Cb 0.34 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3f9k h GLN 96 CO 0.05 0.30 -0.06 1.15 -0.95 0.00 0.00 178.83 179.32 3f9k h THR 97 N 0.47 0.94 -0.84 -0.54 2.02 -1.29 -2.03 112.91 111.64 3f9k h THR 97 Ca 0.46 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 67.56 3f9k h THR 97 Cb 0.74 1.07 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 3f9k h THR 97 CO -0.43 0.05 0.45 0.00 0.37 0.00 0.00 175.52 175.96 3f9k h ALA 98 N 0.62 1.24 -0.07 6.16 0.00 0.00 -0.04 119.26 127.17 3f9k h ALA 98 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3f9k h ALA 98 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3f9k h ALA 98 CO 0.03 -0.01 0.04 -0.07 0.00 0.00 0.00 179.25 179.24 3f9k h LEU 99 N 0.70 0.09 -0.50 0.00 -0.00 -0.92 -1.63 115.31 113.04 3f9k h LEU 99 Ca 0.43 -0.06 0.06 0.00 -0.00 0.00 0.00 57.88 58.31 3f9k h LEU 99 Cb 0.53 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 3f9k h LEU 99 CO -0.31 0.12 0.22 0.15 -0.00 0.00 0.00 178.44 178.63 3f9k h PHE 100 N 0.05 0.40 -0.43 1.13 3.57 -0.59 -1.42 116.94 119.66 3f9k h PHE 100 Ca 0.03 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3f9k h PHE 100 Cb 0.05 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3f9k h PHE 100 CO -0.05 0.17 0.15 1.25 -2.23 0.00 0.00 178.31 177.60 3f9k h LEU 101 N 0.44 0.16 -1.19 0.59 6.46 -0.89 -1.48 115.31 119.40 3f9k h LEU 101 Ca 0.23 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 3f9k h LEU 101 Cb 0.19 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 3f9k h LEU 101 CO -0.19 0.12 0.55 -0.07 -0.62 0.00 0.00 178.44 178.23 3f9k h LEU 102 N 0.32 0.94 0.02 2.25 3.38 -0.48 0.14 115.31 121.88 3f9k h LEU 102 Ca 0.20 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3f9k h LEU 102 Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3f9k h LEU 102 CO -0.20 0.68 -0.01 0.11 0.09 0.00 0.00 178.44 179.10 3f9k h LYS 103 N 1.11 -0.03 -0.25 1.13 1.57 -0.76 -1.83 116.57 117.50 3f9k h LYS 103 Ca 0.31 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 3f9k h LYS 103 Cb -0.11 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 3f9k h LYS 103 CO -0.07 0.08 -0.10 1.25 -0.57 0.00 0.00 179.45 180.04 3f9k h LEU 104 N -0.14 -0.33 -1.16 2.94 5.85 -0.64 -2.16 115.31 119.67 3f9k h LEU 104 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3f9k h LEU 104 Cb 0.13 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3f9k h LEU 104 CO 0.01 -0.13 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 3f9k h ALA 105 N 1.18 1.00 -0.00 1.25 0.00 -0.60 -1.90 119.26 120.19 3f9k h ALA 105 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f9k h ALA 105 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f9k h ALA 105 CO -0.29 0.00 -0.12 -1.13 0.00 0.00 0.00 179.25 177.71 3f9k n SER 106 N -2.46 0.34 -0.00 0.00 3.41 -0.70 -4.21 113.62 110.00 3f9k n SER 106 Ca 0.01 -0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 58.29 3f9k n SER 106 Cb 0.19 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3f9k n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f9k n ARG 107 N -1.14 0.02 -4.36 4.33 1.74 -0.83 -5.09 116.66 111.34 3f9k n ARG 107 Ca 0.12 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.91 3f9k n ARG 107 Cb 0.29 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.69 3f9k n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3f9k s TRP 108 N -2.02 2.53 0.09 -1.55 0.52 -0.78 -5.10 118.94 112.64 3f9k s TRP 108 Ca -0.01 -0.27 -0.31 0.00 0.02 0.00 0.00 56.10 55.53 3f9k s TRP 108 Cb 0.00 -1.36 -0.08 0.00 -1.15 0.00 0.00 33.47 30.89 3f9k s TRP 108 CO 0.02 0.36 1.46 -1.25 0.02 0.00 0.00 176.95 177.56 3f9k s PRO 109 N -2.03 4.28 -0.15 4.98 0.04 -1.26 -4.53 135.00 136.33 3f9k s PRO 109 Ca 0.17 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3f9k s PRO 109 Cb -0.11 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.10 3f9k s PRO 109 CO 0.09 -0.54 -0.11 0.42 0.04 0.00 0.00 177.00 176.91 3f9k s ILE 110 N 1.62 1.36 -0.27 0.56 1.01 -1.26 -4.57 121.20 119.65 3f9k s ILE 110 Ca 0.67 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3f9k s ILE 110 Cb -0.37 -1.35 -0.14 0.00 0.01 0.00 0.00 42.46 40.60 3f9k s ILE 110 CO 0.30 0.36 -0.29 0.41 0.00 0.00 0.00 174.94 175.72 3f9k n THR 111 N 4.83 1.52 -3.89 2.92 -1.04 0.92 -4.63 114.28 114.90 3f9k n THR 111 Ca -0.15 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.22 3f9k n THR 111 Cb 0.49 -1.68 -0.16 0.00 -1.82 0.00 0.00 70.33 67.16 3f9k n THR 111 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3f9k s HIS 112 N -2.51 0.30 -0.17 -1.42 5.65 -0.65 -0.53 115.29 115.95 3f9k s HIS 112 Ca -0.37 0.02 0.01 0.00 0.25 0.00 0.00 55.06 54.97 3f9k s HIS 112 Cb 0.12 -0.42 0.02 0.00 -1.18 0.00 0.00 32.58 31.12 3f9k s HIS 112 CO 0.54 -0.14 -0.17 -1.17 -0.65 0.00 0.00 174.74 173.15 3f9k s LEU 113 N 1.14 2.04 -0.13 8.88 0.20 0.27 -0.88 118.68 130.21 3f9k s LEU 113 Ca -0.08 -0.64 0.02 0.00 0.69 0.00 0.00 54.13 54.12 3f9k s LEU 113 Cb -0.13 -1.37 -0.00 0.00 -0.43 0.00 0.00 46.19 44.26 3f9k s LEU 113 CO -0.02 -0.04 -0.19 -2.28 -0.29 0.00 0.00 176.35 173.53 3f9k s HIS 114 N 1.36 2.69 0.31 5.38 2.46 -0.63 -1.22 115.29 125.64 3f9k s HIS 114 Ca 0.04 -1.05 0.04 0.00 0.47 0.00 0.00 55.06 54.56 3f9k s HIS 114 Cb -0.13 -1.81 -0.03 0.00 -0.13 0.00 0.00 32.58 30.47 3f9k s HIS 114 CO -0.12 -0.45 0.19 0.95 -2.47 0.00 0.00 174.74 172.84 3f9k s THR 115 N 0.59 0.23 0.00 0.89 -4.23 -0.82 -2.68 115.64 109.63 3f9k s THR 115 Ca -0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3f9k s THR 115 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3f9k s THR 115 CO 0.03 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.21 3f9k n ASP 116 N -1.07 -0.18 -1.08 3.99 5.68 -1.26 -0.33 116.55 122.30 3f9k n ASP 116 Ca 0.02 -0.61 0.08 0.00 -0.50 0.00 0.00 54.79 53.79 3f9k n ASP 116 Cb 0.64 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.87 3f9k n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3f9k n ASN 117 N -2.09 3.14 -4.52 -1.12 4.13 -1.26 -4.29 115.26 109.25 3f9k n ASN 117 Ca 0.00 -2.08 -0.51 0.00 1.68 0.00 0.00 54.58 53.67 3f9k n ASN 117 Cb 0.00 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 37.79 3f9k n ASN 117 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f9k n GLY 118 N 1.27 -0.40 0.32 7.41 0.00 -1.26 -4.67 105.19 107.85 3f9k n GLY 118 Ca 0.19 0.56 0.16 0.00 0.00 0.00 0.00 46.02 46.93 3f9k n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9k h ALA 119 N 2.79 1.41 -0.39 4.61 0.00 -1.94 0.44 119.26 126.19 3f9k h ALA 119 Ca -0.42 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3f9k h ALA 119 Cb 1.39 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 3f9k h ALA 119 CO 0.66 -0.56 0.05 -2.95 0.00 0.00 0.00 179.25 176.45 3f9k h ASN 120 N 0.14 0.55 0.53 0.00 -1.07 -1.88 -1.30 115.58 112.56 3f9k h ASN 120 Ca 0.61 -0.09 -0.25 0.00 0.07 0.00 0.00 56.30 56.64 3f9k h ASN 120 Cb 1.32 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 3f9k h ASN 120 CO -0.73 0.59 -1.11 -0.26 0.07 0.00 0.00 177.43 175.99 3f9k h PHE 121 N 0.57 0.51 -0.02 4.14 0.04 -1.25 -3.13 116.94 117.79 3f9k h PHE 121 Ca 0.13 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.57 3f9k h PHE 121 Cb 0.29 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3f9k h PHE 121 CO 0.01 1.21 0.00 0.25 -0.60 0.00 0.00 178.31 179.18 3f9k n THR 122 N -3.61 0.02 -0.62 -1.55 -2.24 -0.93 -4.71 114.28 100.63 3f9k n THR 122 Ca -0.07 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 3f9k n THR 122 Cb 0.94 0.23 0.23 0.00 -2.10 0.00 0.00 70.33 69.62 3f9k n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f9k s SER 123 N -1.95 1.53 0.03 3.42 1.04 -0.50 -4.86 113.70 112.41 3f9k s SER 123 Ca 0.40 1.67 -0.20 0.00 0.48 0.00 0.00 55.95 58.30 3f9k s SER 123 Cb 0.21 -2.36 -0.17 0.00 0.10 0.00 0.00 66.02 63.80 3f9k s SER 123 CO 0.33 -3.88 1.25 -0.61 0.98 0.00 0.00 173.24 171.31 3f9k h GLN 124 N -2.41 0.42 -0.81 4.02 5.75 -1.89 -2.77 115.11 117.43 3f9k h GLN 124 Ca -0.57 -0.29 0.12 0.00 -0.15 0.00 0.00 58.65 57.76 3f9k h GLN 124 Cb 1.32 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.83 3f9k h GLN 124 CO 0.48 0.91 0.43 0.93 -2.65 0.00 0.00 178.83 178.93 3f9k h GLU 125 N -0.01 0.65 -0.19 1.69 3.07 -1.93 -0.95 114.58 116.91 3f9k h GLU 125 Ca -0.01 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 3f9k h GLU 125 Cb 0.93 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3f9k h GLU 125 CO 0.07 0.43 -0.12 0.28 -1.40 0.00 0.00 179.01 178.27 3f9k h VAL 126 N 0.66 1.32 -0.91 3.13 2.07 -1.77 -2.62 116.25 118.14 3f9k h VAL 126 Ca 0.42 -1.21 0.14 0.00 0.82 0.00 0.00 66.70 66.87 3f9k h VAL 126 Cb 0.50 1.71 -0.09 0.00 -1.52 0.00 0.00 31.29 31.89 3f9k h VAL 126 CO -0.31 0.36 0.52 0.11 0.02 0.00 0.00 177.57 178.27 3f9k h LYS 127 N 0.09 0.74 0.20 1.57 1.57 -1.10 -0.12 116.57 119.51 3f9k h LYS 127 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3f9k h LYS 127 Cb 0.62 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3f9k h LYS 127 CO 0.03 0.49 -0.12 0.52 -0.57 0.00 0.00 179.45 179.79 3f9k h MET 128 N 0.76 -0.31 -0.32 3.15 2.86 -1.05 0.10 114.93 120.12 3f9k h MET 128 Ca 0.48 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.18 3f9k h MET 128 Cb 0.61 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 3f9k h MET 128 CO -0.33 -0.20 0.10 0.28 1.06 0.00 0.00 176.91 177.82 3f9k h VAL 129 N -0.32 0.89 -0.61 -2.22 2.07 -1.06 0.82 116.25 115.82 3f9k h VAL 129 Ca -0.02 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3f9k h VAL 129 Cb 0.27 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3f9k h VAL 129 CO 0.02 0.04 0.29 0.00 0.02 0.00 0.00 177.57 177.94 3f9k h ALA 130 N 1.22 0.81 -0.34 1.67 0.00 -0.81 0.04 119.26 121.84 3f9k h ALA 130 Ca 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3f9k h ALA 130 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f9k h ALA 130 CO -0.17 -0.08 0.16 2.35 0.00 0.00 0.00 179.25 181.51 3f9k h TRP 131 N 0.53 0.50 -0.30 0.00 7.01 -0.23 0.29 115.95 123.75 3f9k h TRP 131 Ca 0.29 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 3f9k h TRP 131 Cb 0.27 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 3f9k h TRP 131 CO -0.12 0.44 0.08 2.35 -2.79 0.00 0.00 178.44 178.40 3f9k h TRP 132 N 0.42 0.50 0.00 2.65 7.01 -0.05 -2.63 115.95 123.85 3f9k h TRP 132 Ca 0.12 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 3f9k h TRP 132 Cb 0.13 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3f9k h TRP 132 CO -0.01 0.53 -0.14 0.82 -2.79 0.00 0.00 178.44 176.84 3f9k h ILE 133 N 0.33 0.26 -2.53 2.65 5.03 -1.06 -3.48 117.51 118.70 3f9k h ILE 133 Ca 0.10 -1.25 0.00 0.00 -0.12 0.00 0.00 64.86 63.59 3f9k h ILE 133 Cb 0.28 2.02 0.00 0.00 -3.03 0.00 0.00 36.82 36.09 3f9k h ILE 133 CO -0.00 0.14 0.00 0.61 -0.68 0.00 0.00 178.15 178.22 3f9k n GLY 134 N 0.91 0.81 3.33 5.37 0.00 0.26 -5.04 105.19 110.83 3f9k n GLY 134 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3f9k n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f9k s ILE 135 N -2.89 2.56 -0.15 -0.61 1.01 0.76 -4.82 121.20 117.06 3f9k s ILE 135 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 3f9k s ILE 135 Cb 0.00 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3f9k s ILE 135 CO 0.00 0.56 1.19 -0.70 0.00 0.00 0.00 174.94 175.99 3f9k s GLU 136 N -0.00 4.28 0.00 2.79 2.12 0.31 -4.62 118.70 123.59 3f9k s GLU 136 Ca -0.06 1.59 -0.12 0.00 0.36 0.00 0.00 54.97 56.74 3f9k s GLU 136 Cb -0.15 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 3f9k s GLU 136 CO 0.05 -0.60 0.36 -0.65 -0.54 0.00 0.00 175.26 173.88 3f9k s GLN 137 N 3.02 3.80 -0.02 4.30 -0.21 -1.26 -0.56 119.66 128.73 3f9k s GLN 137 Ca 0.53 0.26 0.01 0.00 0.02 0.00 0.00 55.36 56.18 3f9k s GLN 137 Cb -0.21 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.66 3f9k s GLN 137 CO 0.15 0.67 -0.02 -1.12 -2.12 0.00 0.00 175.29 172.85 3f9k s SER 138 N -1.26 0.48 -0.12 5.90 0.01 -0.36 -4.95 113.70 113.40 3f9k s SER 138 Ca 0.25 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.46 3f9k s SER 138 Cb -0.15 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 3f9k s SER 138 CO 0.13 -0.03 -0.15 -0.36 0.41 0.00 0.00 173.24 173.24 3f9k s PHE 139 N 0.54 2.76 0.00 2.43 0.08 -1.26 -1.94 117.98 120.59 3f9k s PHE 139 Ca -0.06 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.27 3f9k s PHE 139 Cb -0.09 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 3f9k s PHE 139 CO -0.01 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 3f9k n GLY 140 N 3.52 1.86 3.76 4.36 0.00 0.55 -4.60 105.19 114.63 3f9k n GLY 140 Ca -0.18 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 3f9k n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f9k s VAL 141 N 0.00 2.55 0.16 1.61 -7.23 -1.26 -4.18 120.40 112.04 3f9k s VAL 141 Ca 0.00 0.39 -0.09 0.00 -1.81 0.00 0.00 61.98 60.47 3f9k s VAL 141 Cb 0.00 -3.19 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 3f9k s VAL 141 CO 0.00 -0.03 0.45 -2.16 -0.31 0.00 0.00 175.10 173.06 3f9k s PRO 142 N -2.97 3.75 0.09 4.82 0.04 -1.26 -5.17 135.00 134.29 3f9k s PRO 142 Ca 0.71 0.15 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 3f9k s PRO 142 Cb -0.34 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 3f9k s PRO 142 CO 0.39 0.44 0.27 0.71 0.04 0.00 0.00 177.00 178.85 3f9k s TYR 143 N -1.63 3.51 0.73 0.56 1.51 -1.26 -4.98 117.35 115.79 3f9k s TYR 143 Ca 0.41 0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 56.67 3f9k s TYR 143 Cb -0.13 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3f9k s TYR 143 CO 0.21 0.54 0.79 0.09 -1.11 0.00 0.00 175.55 176.07 3f9k n ASN 144 N 0.24 -0.23 -4.77 2.29 3.02 -1.26 -4.87 115.26 109.69 3f9k n ASN 144 Ca -0.04 0.63 -0.34 0.00 -0.03 0.00 0.00 54.58 54.80 3f9k n ASN 144 Cb 0.51 -1.33 0.04 0.00 -0.61 0.00 0.00 39.78 38.39 3f9k n ASN 144 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3f9k s PRO 145 N -3.13 2.92 -1.38 3.52 0.02 -1.26 -3.15 135.00 132.53 3f9k s PRO 145 Ca 0.70 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.20 3f9k s PRO 145 Cb -0.34 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3f9k s PRO 145 CO 0.54 -1.17 0.00 0.00 -0.33 0.00 0.00 177.00 176.03 3f9k n GLN 146 N -2.11 -1.74 0.00 5.54 -0.00 -1.26 -4.66 117.38 113.15 3f9k n GLN 146 Ca 0.11 0.78 0.00 0.00 -0.00 0.00 0.00 57.00 57.89 3f9k n GLN 146 Cb 0.51 -5.24 0.00 0.00 -0.00 0.00 0.00 30.24 25.52 3f9k n GLN 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3f9k n SER 147 N -1.32 0.00 -4.71 2.61 3.41 -1.19 -4.92 113.62 107.50 3f9k n SER 147 Ca -0.16 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.03 3f9k n SER 147 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3f9k n SER 147 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3f9k s GLN 148 N 0.00 4.27 -0.86 4.33 2.00 -1.22 -3.74 119.66 124.44 3f9k s GLN 148 Ca 0.00 2.17 0.00 0.00 -2.00 0.00 0.00 55.36 55.53 3f9k s GLN 148 Cb 0.00 -3.33 0.00 0.00 0.80 0.00 0.00 33.01 30.48 3f9k s GLN 148 CO 0.00 -0.54 0.00 0.41 -0.50 0.00 0.00 175.29 174.66 3f9k n GLY 149 N 3.66 0.21 0.12 2.59 0.00 -1.26 -4.95 105.19 105.56 3f9k n GLY 149 Ca 0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 3f9k n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f9k h VAL 150 N 0.00 1.30 -0.07 1.61 2.07 -1.98 -2.40 116.25 116.78 3f9k h VAL 150 Ca -0.22 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.29 3f9k h VAL 150 Cb 1.06 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 3f9k h VAL 150 CO 0.27 0.30 -0.09 0.58 0.02 0.00 0.00 177.57 178.66 3f9k h VAL 151 N -0.05 0.76 -0.73 2.57 2.07 -1.90 -0.74 116.25 118.24 3f9k h VAL 151 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 3f9k h VAL 151 Cb 0.49 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 3f9k h VAL 151 CO 0.02 0.00 0.28 -0.33 0.02 0.00 0.00 177.57 177.56 3f9k h GLU 152 N -0.11 0.42 -0.16 1.57 3.07 -1.97 0.44 114.58 117.83 3f9k h GLU 152 Ca 0.06 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3f9k h GLU 152 Cb 0.20 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3f9k h GLU 152 CO -0.14 0.28 0.08 0.00 -1.40 0.00 0.00 179.01 177.83 3f9k h ALA 153 N 1.53 0.19 -0.58 3.43 0.00 -0.96 -2.95 119.26 119.91 3f9k h ALA 153 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3f9k h ALA 153 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3f9k h ALA 153 CO -0.39 -0.35 0.27 0.52 0.00 0.00 0.00 179.25 179.30 3f9k h MET 154 N 0.17 0.83 -0.55 0.00 2.86 0.56 -1.13 114.93 117.67 3f9k h MET 154 Ca 0.07 -0.11 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 3f9k h MET 154 Cb 0.01 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.41 3f9k h MET 154 CO -0.05 0.65 -0.17 -0.91 1.06 0.00 0.00 176.91 177.50 3f9k h ASN 155 N 0.82 -0.60 0.51 1.22 2.35 -0.08 0.67 115.58 120.48 3f9k h ASN 155 Ca 0.20 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 3f9k h ASN 155 Cb 0.11 0.38 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3f9k h ASN 155 CO -0.02 -0.21 -0.32 -0.74 -1.65 0.00 0.00 177.43 174.49 3f9k h HIS 156 N -0.03 -0.83 -1.01 1.19 -0.00 -1.19 -1.69 115.15 111.59 3f9k h HIS 156 Ca 0.26 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.68 3f9k h HIS 156 Cb 0.44 0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 28.08 3f9k h HIS 156 CO -0.49 -0.48 0.66 0.45 -0.00 0.00 0.00 177.93 178.07 3f9k h HIS 157 N -0.79 1.22 -0.59 5.26 3.86 -0.49 -0.04 115.15 123.57 3f9k h HIS 157 Ca -0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3f9k h HIS 157 Cb 0.64 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 3f9k h HIS 157 CO -0.10 0.66 0.29 1.25 0.86 0.00 0.00 177.93 180.90 3f9k h LEU 158 N 1.22 0.77 -0.85 2.43 5.85 0.41 -1.27 115.31 123.88 3f9k h LEU 158 Ca 0.42 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3f9k h LEU 158 Cb 0.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3f9k h LEU 158 CO -0.15 0.68 0.28 0.11 -0.34 0.00 0.00 178.44 179.02 3f9k h LYS 159 N 0.81 1.13 -0.72 1.25 1.57 -0.32 0.85 116.57 121.13 3f9k h LYS 159 Ca 0.21 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3f9k h LYS 159 Cb 0.11 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3f9k h LYS 159 CO -0.03 0.92 0.44 -0.91 -0.57 0.00 0.00 179.45 179.30 3f9k h ASN 160 N 1.09 0.70 -0.28 0.86 2.35 -0.67 0.12 115.58 119.75 3f9k h ASN 160 Ca 0.25 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 3f9k h ASN 160 Cb 0.23 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3f9k h ASN 160 CO -0.02 0.47 -0.05 -0.61 -1.65 0.00 0.00 177.43 175.57 3f9k h GLN 161 N 0.84 0.53 -0.92 0.81 5.75 -0.60 -2.14 115.11 119.37 3f9k h GLN 161 Ca 0.30 -0.20 0.10 0.00 -0.15 0.00 0.00 58.65 58.70 3f9k h GLN 161 Cb 0.08 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.52 3f9k h GLN 161 CO -0.13 0.72 0.59 0.82 -2.65 0.00 0.00 178.83 178.18 3f9k h ILE 162 N 0.29 0.96 -0.38 2.39 2.04 -0.57 -2.20 117.51 120.04 3f9k h ILE 162 Ca 0.07 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3f9k h ILE 162 Cb 0.52 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3f9k h ILE 162 CO 0.02 0.17 0.11 -1.28 0.00 0.00 0.00 178.15 177.18 3f9k h SER 163 N 0.92 0.56 -0.37 1.72 0.87 -0.63 -0.34 113.55 116.28 3f9k h SER 163 Ca 0.43 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 3f9k h SER 163 Cb 0.42 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3f9k h SER 163 CO -0.19 0.62 0.25 0.03 -0.53 0.00 0.00 176.83 177.00 3f9k h ARG 164 N 0.47 0.33 -0.12 2.24 3.08 -0.77 -2.62 114.38 116.99 3f9k h ARG 164 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3f9k h ARG 164 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3f9k h ARG 164 CO -0.00 0.22 0.00 0.44 -1.07 0.00 0.00 179.97 179.55 3f9k n ILE 165 N -4.48 1.99 -0.12 2.04 -5.35 -1.08 -4.83 119.36 107.52 3f9k n ILE 165 Ca 0.04 -2.01 -0.05 0.00 -0.27 0.00 0.00 62.75 60.46 3f9k n ILE 165 Cb 0.19 -0.19 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 3f9k n ILE 165 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3f9k h ARG 166 N 0.83 -0.10 -0.98 6.28 1.12 -0.65 -2.37 114.38 118.50 3f9k h ARG 166 Ca 0.00 0.01 -0.23 0.00 -1.11 0.00 0.00 59.98 58.64 3f9k h ARG 166 Cb 1.16 0.02 -0.14 0.00 -0.01 0.00 0.00 29.97 31.00 3f9k h ARG 166 CO 0.09 -0.07 0.29 -0.85 -3.11 0.00 0.00 179.97 176.33 3f9k n GLU 167 N -5.37 1.71 0.01 0.20 0.28 -1.26 -3.47 120.64 112.74 3f9k n GLU 167 Ca 0.02 -1.47 0.11 0.00 -0.16 0.00 0.00 57.16 55.66 3f9k n GLU 167 Cb 0.28 -1.60 -0.08 0.00 1.43 0.00 0.00 31.44 31.48 3f9k n GLU 167 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3f9k n GLN 168 N -0.25 0.31 -3.74 3.44 6.02 -0.89 -4.97 117.38 117.29 3f9k n GLN 168 Ca 0.28 -0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 57.10 3f9k n GLN 168 Cb 1.04 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 3f9k n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f9k s ALA 169 N -3.23 -0.72 -0.05 -1.58 0.00 -1.23 -5.11 121.76 109.85 3f9k s ALA 169 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 3f9k s ALA 169 Cb 0.15 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 3f9k s ALA 169 CO 0.85 -0.43 -0.02 -0.91 0.00 0.00 0.00 175.76 175.25 3f9k h ASN 170 N 3.13 0.00 -4.02 0.00 2.35 -1.93 -3.48 115.58 111.63 3f9k h ASN 170 Ca -0.32 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.91 3f9k h ASN 170 Cb 1.20 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.66 3f9k h ASN 170 CO 0.46 0.23 0.52 0.42 -1.65 0.00 0.00 177.43 177.42 3f9k s THR 171 N -1.29 2.74 0.21 2.81 -4.23 -1.26 -4.94 115.64 109.67 3f9k s THR 171 Ca -0.01 0.55 0.05 0.00 -1.18 0.00 0.00 61.69 61.10 3f9k s THR 171 Cb 0.00 -3.27 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 3f9k s THR 171 CO 0.02 -0.02 1.47 0.40 -0.54 0.00 0.00 174.62 175.96 3f9k h ILE 172 N 1.65 1.48 -0.77 2.99 2.04 -1.97 -2.39 117.51 120.54 3f9k h ILE 172 Ca -0.50 -2.40 0.18 0.00 1.00 0.00 0.00 64.86 63.14 3f9k h ILE 172 Cb 1.27 2.30 -0.12 0.00 -0.74 0.00 0.00 36.82 39.52 3f9k h ILE 172 CO 0.59 0.70 0.14 -0.33 0.00 0.00 0.00 178.15 179.25 3f9k h GLU 173 N 0.09 0.20 0.01 2.37 3.07 -1.97 -1.45 114.58 116.90 3f9k h GLU 173 Ca -0.02 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 3f9k h GLU 173 Cb 1.32 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.20 3f9k h GLU 173 CO 0.11 0.13 -0.47 1.15 -1.40 0.00 0.00 179.01 178.53 3f9k h THR 174 N 0.21 1.49 -0.88 1.13 2.02 -1.94 -3.33 112.91 111.61 3f9k h THR 174 Ca 0.45 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 3f9k h THR 174 Cb 0.80 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 3f9k h THR 174 CO -0.59 0.59 0.51 -0.29 0.37 0.00 0.00 175.52 176.11 3f9k h ILE 175 N -0.31 1.25 0.41 3.11 6.09 -0.98 -2.62 117.51 124.46 3f9k h ILE 175 Ca -0.06 -0.57 -0.01 0.00 -1.37 0.00 0.00 64.86 62.85 3f9k h ILE 175 Cb 1.22 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3f9k h ILE 175 CO 0.09 0.27 -0.30 0.58 -3.07 0.00 0.00 178.15 175.72 3f9k h VAL 176 N 1.22 0.38 -0.78 2.19 2.07 -1.42 -0.28 116.25 119.63 3f9k h VAL 176 Ca 0.31 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.94 3f9k h VAL 176 Cb -0.02 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 3f9k h VAL 176 CO -0.06 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.97 3f9k h LEU 177 N -0.70 0.60 -0.19 2.57 3.38 -1.63 0.12 115.31 119.47 3f9k h LEU 177 Ca -0.04 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3f9k h LEU 177 Cb 0.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3f9k h LEU 177 CO 0.01 0.35 -0.04 0.24 0.09 0.00 0.00 178.44 179.09 3f9k h MET 178 N 0.66 0.36 -0.62 1.13 2.86 -1.14 -2.46 114.93 115.71 3f9k h MET 178 Ca 0.36 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.90 3f9k h MET 178 Cb 0.52 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3f9k h MET 178 CO -0.14 0.61 0.38 0.00 1.06 0.00 0.00 176.91 178.83 3f9k h ALA 179 N 0.74 0.81 -0.61 6.32 0.00 0.42 -2.33 119.26 124.61 3f9k h ALA 179 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3f9k h ALA 179 Cb 0.47 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3f9k h ALA 179 CO 0.02 0.13 0.34 0.28 0.00 0.00 0.00 179.25 180.02 3f9k h VAL 180 N 0.75 1.01 -0.56 0.00 2.07 -0.79 -1.01 116.25 117.72 3f9k h VAL 180 Ca 0.25 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3f9k h VAL 180 Cb 0.02 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 3f9k h VAL 180 CO -0.10 0.12 0.22 -0.74 0.02 0.00 0.00 177.57 177.09 3f9k h HIS 181 N 0.66 0.40 -0.35 1.57 6.17 -0.97 -1.33 115.15 121.30 3f9k h HIS 181 Ca 0.26 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.37 3f9k h HIS 181 Cb 0.11 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 3f9k h HIS 181 CO -0.07 0.13 0.23 0.00 0.71 0.00 0.00 177.93 178.93 3f9k h MET 183 N 0.47 0.00 0.00 0.00 2.86 -0.63 0.30 114.93 117.94 3f9k h MET 183 Ca 0.13 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 3f9k h MET 183 Cb -0.05 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3f9k h MET 183 CO -0.03 0.23 -1.77 0.09 1.06 0.00 0.00 176.91 176.49 3f9k n ASN 184 N -3.56 0.53 0.00 1.22 3.02 -0.55 -4.55 115.26 111.37 3f9k n ASN 184 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3f9k n ASN 184 Cb 0.38 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 3f9k n ASN 184 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3f9k n PHE 185 N -2.79 0.00 0.18 3.10 3.72 -0.49 -2.07 117.46 119.11 3f9k n PHE 185 Ca -0.16 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.28 3f9k n PHE 185 Cb 0.91 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.51 3f9k n PHE 185 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3f9k n LYS 186 N -1.23 1.08 -4.50 -1.08 4.76 0.10 -4.95 118.16 112.35 3f9k n LYS 186 Ca 0.00 -1.30 -0.24 0.00 -2.87 0.00 0.00 58.31 53.90 3f9k n LYS 186 Cb 0.00 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 31.88 3f9k n LYS 186 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3f9k s ARG 187 N -0.79 1.22 -0.01 1.97 1.70 -1.21 -2.45 118.95 119.39 3f9k s ARG 187 Ca 0.12 -0.94 -0.01 0.00 -0.47 0.00 0.00 55.73 54.43 3f9k s ARG 187 Cb 0.07 -1.34 -0.00 0.00 -0.57 0.00 0.00 34.95 33.12 3f9k s ARG 187 CO 0.11 0.33 0.03 0.50 -1.08 0.00 0.00 175.30 175.19 3f9k s ARG 188 N -1.31 0.11 0.00 3.89 3.52 -1.26 -4.20 118.95 119.70 3f9k s ARG 188 Ca 0.06 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 3f9k s ARG 188 Cb -0.09 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 3f9k s ARG 188 CO 0.02 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 3f9k n GLY 189 N 2.73 -0.64 7.00 8.12 0.00 -1.03 -4.49 105.19 116.88 3f9k n GLY 189 Ca -0.15 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3f9k n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f9k n GLY 190 N 0.00 0.55 0.34 -0.02 0.00 -1.26 -1.92 105.19 102.88 3f9k n GLY 190 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 3f9k n GLY 190 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3f9k h ILE 191 N 0.00 0.00 -0.55 -0.61 3.07 -1.95 -2.88 117.51 114.59 3f9k h ILE 191 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3f9k h ILE 191 Cb 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.55 3f9k h ILE 191 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3f9k n GLY 192 N -1.29 2.77 3.57 0.16 0.00 -1.26 -4.95 105.19 104.19 3f9k n GLY 192 Ca -0.03 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3f9k n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9k n ASP 193 N 0.98 -2.88 -4.58 1.61 10.43 -1.09 -5.01 116.55 116.02 3f9k n ASP 193 Ca 0.20 -0.79 -0.27 0.00 2.57 0.00 0.00 54.79 56.50 3f9k n ASP 193 Cb 0.64 -4.35 -0.11 0.00 1.84 0.00 0.00 41.12 39.14 3f9k n ASP 193 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3f9k s MET 194 N -5.59 1.88 0.44 -1.24 0.23 -0.81 -4.46 119.30 109.76 3f9k s MET 194 Ca 0.15 -2.01 -0.15 0.00 -1.03 0.00 0.00 55.69 52.65 3f9k s MET 194 Cb -0.04 -1.65 -0.08 0.00 -1.53 0.00 0.00 34.83 31.54 3f9k s MET 194 CO 0.79 0.04 0.88 0.95 -2.03 0.00 0.00 175.02 175.66 3f9k s THR 195 N -2.68 4.61 0.35 3.16 -4.23 -1.26 -2.46 115.64 113.14 3f9k s THR 195 Ca 0.34 1.04 0.13 0.00 -1.18 0.00 0.00 61.69 62.01 3f9k s THR 195 Cb 0.06 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.55 3f9k s THR 195 CO 0.17 -0.52 1.76 -0.65 -0.54 0.00 0.00 174.62 174.84 3f9k h PRO 196 N 1.34 0.51 0.83 3.99 0.11 -1.75 -0.16 132.00 136.87 3f9k h PRO 196 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3f9k h PRO 196 Cb 1.18 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3f9k h PRO 196 CO 0.63 0.34 -0.40 1.03 -0.21 0.00 0.00 178.00 179.39 3f9k h SER 197 N 0.53 -0.94 -0.73 -2.05 0.87 -1.75 -1.10 113.55 108.38 3f9k h SER 197 Ca 0.60 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 61.35 3f9k h SER 197 Cb 1.28 0.24 -0.11 0.00 -0.44 0.00 0.00 62.40 63.37 3f9k h SER 197 CO -0.37 -0.67 0.16 -0.33 -0.53 0.00 0.00 176.83 175.09 3f9k h GLU 198 N -1.12 0.24 -0.09 2.24 5.08 -1.51 -0.16 114.58 119.27 3f9k h GLU 198 Ca -0.11 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3f9k h GLU 198 Cb 0.85 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3f9k h GLU 198 CO 0.19 0.16 0.05 -0.09 -1.00 0.00 0.00 179.01 178.31 3f9k h ARG 199 N 0.25 0.12 0.10 2.33 2.43 -0.95 -0.34 114.38 118.33 3f9k h ARG 199 Ca 0.41 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 3f9k h ARG 199 Cb 0.70 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3f9k h ARG 199 CO -0.52 0.17 -0.05 1.25 -1.51 0.00 0.00 179.97 179.31 3f9k h LEU 200 N 0.05 -0.12 -0.54 3.80 5.85 -0.43 -0.73 115.31 123.18 3f9k h LEU 200 Ca 0.03 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3f9k h LEU 200 Cb 0.08 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3f9k h LEU 200 CO -0.00 -0.00 0.27 0.40 -0.34 0.00 0.00 178.44 178.76 3f9k h ILE 201 N -0.23 0.93 -0.76 4.05 5.03 -1.02 -1.56 117.51 123.95 3f9k h ILE 201 Ca -0.01 -0.17 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 3f9k h ILE 201 Cb 0.19 0.37 -0.04 0.00 -3.03 0.00 0.00 36.82 34.32 3f9k h ILE 201 CO 0.02 0.09 0.40 -1.13 -0.68 0.00 0.00 178.15 176.85 3f9k h ASN 202 N 0.51 0.96 -0.59 1.72 -1.24 -0.88 -2.01 115.58 114.05 3f9k h ASN 202 Ca 0.25 -0.11 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 3f9k h ASN 202 Cb 0.18 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 3f9k h ASN 202 CO -0.19 0.80 0.11 0.24 -1.29 0.00 0.00 177.43 177.10 3f9k h MET 203 N 1.05 1.00 -0.45 6.67 2.86 -0.70 -1.89 114.93 123.48 3f9k h MET 203 Ca 0.26 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3f9k h MET 203 Cb 0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3f9k h MET 203 CO -0.04 0.92 -0.02 0.82 1.06 0.00 0.00 176.91 179.64 3f9k h ILE 204 N 0.94 1.24 0.00 -1.22 2.04 -0.91 -2.80 117.51 116.80 3f9k h ILE 204 Ca 0.19 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3f9k h ILE 204 Cb 0.40 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3f9k h ILE 204 CO 0.01 0.35 -0.19 0.74 0.00 0.00 0.00 178.15 179.06 3f9k h THR 205 N 0.70 0.36 0.00 -0.27 2.02 -1.11 -3.26 112.91 111.35 3f9k h THR 205 Ca 0.13 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3f9k h THR 205 Cb 0.46 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3f9k h THR 205 CO 0.02 0.19 0.00 0.41 0.37 0.00 0.00 175.52 176.51 3f9k n THR 206 N -3.19 0.14 0.47 3.16 -1.04 -0.73 -5.11 114.28 107.99 3f9k n THR 206 Ca 0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.09 3f9k n THR 206 Cb 0.55 -0.50 0.05 0.00 -1.82 0.00 0.00 70.33 68.61 3f9k n THR 206 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81